Cresset AI ADME is a next-generation, AI-powered model building technology designed to build highly predictive, confidence scored ADME(T) models from your proprietary data.
Enhancing Efficiency, Empowering Decisions
Discover faster with AI ADME
Medicinal chemists, computational scientists, and data scientists use AI ADME to turn proprietary data collections into highly predictive, confidence-scored ADME(T) & physicochemical property prediction models.
Working with our Discovery Services team, you apply Cresset’s proprietary patent-pending Superlearner AI technology to construct models running on servers securely hosted on your corporate infrastructure. These models can then be applied to analyze molecules during early-stage discovery, proactively flagging ADME(T) risks before costly downstream investment. AI ADME uses accurate and customizable ADME parameter prediction with robust confidence scores for reliable prioritization of molecules.
- Accelerate discovery, making go/no-go decisions in minutes and avoiding late-stage ADME failures
- Solve ADME challenges efficiently, screening millions of virtual compounds for optimal profiles and optimizing for multiple ADMET endpoints while maintaining target activity
- Explore candidate space effectively – prioritize synthesis efforts and optimize lead compounds to balance potency with ADME properties
- Increase confidence – inform decisions with uncertainty estimates for every prediction; identify safety concerns before clinical trials
Why choose Cresset AI ADME?
AI ADME’s Superlearner AI technology
- Exploits curated proprietary data
- Combines multiple algorithms to achieve superior prediction accuracy compared to individual models
- Automatically leverages the best-performing models for each ADME(T) and physicochemical property endpoint
- Has robust predictive performance in novel chemical space
Predictions you can trust
AI ADME’s proprietary Confidence Score correlates reliably with property prediction accuracy, increasing user trust and model adoption
Customization and integration
- Generate highly predictive regression and classification models for a variety of ADME(T) and physico-chemical properties
- Integrate with company workflows and infrastructure via a REST API, enabling frictionless communication with your existing molecule discovery platform
Scale your capabilities
- Calculate properties for thousands or millions of compounds with a highly-scalable cloud-native platform
- Evaluate huge virtual libraries that would be impossible to test experimentally
Available today from Cresset Discovery Services
Work in collaboration with Cresset Discovery experts to discuss your ADME modeling needs and define project objectives.
